(1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine

C14H26N4 — CID 142031044

IUPAC(1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCCC1NC/C=N/[C@@H]1CCC=C[C@H]1N
InChIInChI=1S/C14H26N4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1,5,9,11-14,18H,2-4,6-8,10,15-16H2/b17-9+/t11-,12-,13-,14?/m1/s1
InChIKeyMCRHPGYMPFPZJJ-NQPJAICTSA-N
MW250.39 g/mol
LogP0.96
Rot. Bonds4

About (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine

(1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine (PubChem CID 142031044) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine
PubChem CID142031044
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCCC1NC/C=N/[C@@H]1CCC=C[C@H]1N
InChIInChI=1S/C14H26N4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1,5,9,11-14,18H,2-4,6-8,10,15-16H2/b17-9+/t11-,12-,13-,14?/m1/s1
InChIKeyMCRHPGYMPFPZJJ-NQPJAICTSA-N
XLogP0.96
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine?
The IUPAC name of (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine (CID 142031044) is (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine.
What is the SMILES notation for (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine?
The canonical SMILES for (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine is N[C@@H]1CCCCC1NC/C=N/[C@@H]1CCC=C[C@H]1N.
What is the InChIKey of (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine?
The InChIKey is MCRHPGYMPFPZJJ-NQPJAICTSA-N. The full InChI is InChI=1S/C14H26N4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1,5,9,11-14,18H,2-4,6-8,10,15-16H2/b17-9+/t11-,12-,13-,14?/m1/s1.
What are the key properties of (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine?
(1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-N-[2-[(1R,2R)-2-aminocyclohex-3-en-1-yl]iminoethyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 142031044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).